[(2S)-1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: [(2S)-1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [(1S)-2-(4-methoxyanilino)-1-methyl-2-oxo-ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [(1S)-2-keto-1-methyl-2-(p-anisidino)ethyl] ester Formula: C15H15BrN2O4 MolecularWeight: 367.1946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC)OC(=O)C2=CC(=CN2)Br

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)OC)OC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C15H15BrN2O4/c1-9(22-15(20)13-7-10(16)8-17-13)14(19)18-11-3-5-12(21-2)6-4-11/h3-9,17H,1-2H3,(H,18,19)/t9-/m0/s1